Table 1.
The table gives the ZINC database IDs for the 157 drug-like molecules that are manually clustered in 6 groups, depending on their basic ring systems (clusters 1 to 3).
| Cluster 1 | Cluster 2 | Cluster 3 |
| 06873823 | 06873893 | 06873927 |
| 06873855 | 06873894 | 06873929 |
| 06873857 | 06873895 | 06874039 |
| 06873861 | 06874719 | 06874040 |
| 06874015 | 06874720 | 06874109 |
| 06874088 | 06874722 | 06874174 |
| 06874162 | 06874724 | 06874175 |
| 06874204 | 06874725 | 06874176 |
| 06874206 | 06874726 | 06874178 |
| 06874209 | 06874727 | 06874243 |
| 06874212 | 06874728 | 06874244 |
| 06874300 | 06874729 | 06874256 |
| 06874301 | 06874732 | 06874257 |
| 06874342 | 06874733 | 06874258 |
| 06874351 | 06874734 | 06874259 |
| 06874352 | 06874750 | 06874260 |
| 06874356 | 06874764 | 06874262 |
| 06874360 | 06874767 | 06874921 |
| 06874361 | 06874768 | 06874923 |
| 06874364 | 06874769 | 06874924 |
| 06874479 | 06874771 | 06874925 |
| 06874527 | 06874772 | 06874928 |
| 06874531 | 06874789 | 06875012 |
| 06874540 | 06874790 | 06875013 |
| 06874573 | 06874792 | 06875014 |
| 06874578 | 06874793 | 06875015 |
| 06874579 | 06874794 | 06875016 |
| 06874583 | 06874795 | 06875017 |
| 06874586 | 06874802 | 06875018 |
| 06874588 | 06874912 | |
| 06874597 | 06875068 | |
| 06874599 | ||
| 06874634 | ||
| 06874635 | ||
| 06874639 | ||
| 06874696 | ||
| 06874833 | ||
| 06874836 | ||
| 06874975 | ||
| 06875048 | ||
| 06875051 | ||
| 06875052 | ||
| 06875055 | ||
| 06875058 | ||
| 06875060 | ||
| 06875064 |
To each ID the prefix ZINC has to be added, i.e., first molecule's ID is: ZINC06873823.